2-(1-hexoxyhexadecoxy)acetic acid

C24H48O4 — CID 175401569

IUPAC2-(1-hexoxyhexadecoxy)acetic acid
SMILESCCCCCCCCCCCCCCCC(OCCCCCC)OCC(=O)O
InChIInChI=1S/C24H48O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-24(28-22-23(25)26)27-21-19-8-6-4-2/h24H,3-22H2,1-2H3,(H,25,26)
InChIKeyCUBIOHXBAXWACD-UHFFFAOYSA-N
MW400.64 g/mol
LogP7.49
Rot. Bonds23

About 2-(1-hexoxyhexadecoxy)acetic acid

2-(1-hexoxyhexadecoxy)acetic acid (PubChem CID 175401569) has the molecular formula C24H48O4 and a molecular weight of 400.64 g/mol. Its IUPAC name is 2-(1-hexoxyhexadecoxy)acetic acid.

Molecular Properties

Compound Name2-(1-hexoxyhexadecoxy)acetic acid
PubChem CID175401569
Molecular FormulaC24H48O4
Molecular Weight400.64 g/mol
Exact Mass400.36
IUPAC Name2-(1-hexoxyhexadecoxy)acetic acid
SMILESCCCCCCCCCCCCCCCC(OCCCCCC)OCC(=O)O
InChIInChI=1S/C24H48O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-24(28-22-23(25)26)27-21-19-8-6-4-2/h24H,3-22H2,1-2H3,(H,25,26)
InChIKeyCUBIOHXBAXWACD-UHFFFAOYSA-N
XLogP7.49
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.64
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-methylpropoxy)hexadecoxy]acetic acid
CID 175401584
2-[(Z)-1-ethoxyoctadec-9-enoxy]acetic acid
CID 175306189
1,1-dibutoxyoctane
CID 54557001
2-(1-undecoxyethoxy)acetic acid
CID 122610996
3,3-dihexadecoxypropanoic acid
CID 88656990
octyl 6,6-dioctoxyhexanoate
CID 118168748
6-methyl-1,1-dioctoxyheptane
CID 171428766
magnesium;1-(1-decoxyhexoxy)decane;bromide
CID 165175041
4-(5,5-dibutoxypentoxy)-4-oxobutanoic acid
CID 141304635
1-(6-chloro-1-heptoxyhexoxy)heptane
CID 165175032
1-(15,15-dioctoxy-1-propoxypentadecoxy)-15,15-dioctoxy-1-propoxypentadecane
CID 175225222
10-bromo-1,1-di(nonoxy)decane
CID 146509943

Frequently Asked Questions

What is the IUPAC name of 2-(1-hexoxyhexadecoxy)acetic acid?
The IUPAC name of 2-(1-hexoxyhexadecoxy)acetic acid (CID 175401569) is 2-(1-hexoxyhexadecoxy)acetic acid.
What is the SMILES notation for 2-(1-hexoxyhexadecoxy)acetic acid?
The canonical SMILES for 2-(1-hexoxyhexadecoxy)acetic acid is CCCCCCCCCCCCCCCC(OCCCCCC)OCC(=O)O.
What is the InChIKey of 2-(1-hexoxyhexadecoxy)acetic acid?
The InChIKey is CUBIOHXBAXWACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-24(28-22-23(25)26)27-21-19-8-6-4-2/h24H,3-22H2,1-2H3,(H,25,26).
What are the key properties of 2-(1-hexoxyhexadecoxy)acetic acid?
2-(1-hexoxyhexadecoxy)acetic acid has a molecular weight of 400.64 g/mol, XLogP of 7.49, 23 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hexoxyhexadecoxy)acetic acid is sourced from PubChem (CID 175401569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).